PDB entry 4kak

View 4kak on RCSB PDB site
Description: Crystal structure of human dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3S)-3-[3-methoxy-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)
Class: Oxidoreductase/oxidoreductase inhibitor
Keywords: Oxidoreductase, 5,6,7,8-tetrahydrofolate; NADP+; 7,8-dihydrofolate, Hydride shift, Oxidoreductase-oxidoreductase inhibitor complex
Deposited on 2013-04-22, released 2013-10-09
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-11-20, with a file datestamp of 2013-11-15.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.225
AEROSPACI score: 0.4 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydrofolate reductase
    Species: Homo sapiens [TaxId:9606]
    Gene: DHFR, huDHFR
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4kaka_
  • Chain 'B':
    Compound: dihydrofolate reductase
    Species: Homo sapiens [TaxId:9606]
    Gene: DHFR, huDHFR
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4kakb_
  • Heterogens: NDP, 06U, EOH, CA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4kakA (A:)
vgslncivavsqnmgigkngdlpwpplrnefryfqrmtttssvegkqnlvimgkktwfsi
peknrplkgrinlvlsrelkeppqgahflsrslddalklteqpelankvdmvwivggssv
ykeamnhpghlklfvtrimqdfesdtffpeidlekykllpeypgvlsdvqeekgikykfe
vyeknd

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4kakB (B:)
vgslncivavsqnmgigkngdlpwpplrnefryfqrmtttssvegkqnlvimgkktwfsi
peknrplkgrinlvlsrelkeppqgahflsrslddalklteqpelankvdmvwivggssv
ykeamnhpghlklfvtrimqdfesdtffpeidlekykllpeypgvlsdvqeekgikykfe
vyeknd